SCHEMBL8956169

SCHEMBL8956169

CCCCCCCCCCCCOc1cc(C(C)(C)C)c(O)cc1C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.54
TP53 P04637 2/20 0.54
LMNA P02545 1/20 0.54
CYP3A4 P08684 1/20 0.54
HPGD P15428 1/20 0.54
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.48
ATP2A2 P16615 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ATP2A3 Q93084 1/20 0.48
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
ESR1 P03372 2/20 0.45
SMPD1 P17405 1/20 0.43
NR5A1 Q13285 1/20 0.41
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11419539 1.00 ALOX15 (0.54) ALOX15TP53LMNACYP3A4HPGD
SCHEMBL8956466 0.94 THRA (0.48) ALOX15TP53LMNACYP3A4HPGD
SCHEMBL13341488 0.90 THRA (0.51) LMNACYP3A4MAPTTHRATHRB
SCHEMBL11138643 0.90 THRA (0.51) LMNACYP3A4MAPTTHRATHRB
Hydrochloric Acid SCHEMBL10780735 0.85 THRA (0.44) ALOX15TP53LMNACYP3A4HPGD
SCHEMBL10611020 0.83 THRA (0.45) LMNACYP3A4CYP1A2MAPTTHRA
SCHEMBL6232233 0.82 THRA (0.43) ALOX15TP53LMNACYP3A4HPGD
SCHEMBL11428493 0.82 THRA (0.46) LMNACYP3A4ALDH1A1MAPTTHRA
Hydrochloric Acid SCHEMBL9453289 0.82 THRA (0.44) LMNACYP3A4CYP1A2MAPTTHRA
SCHEMBL8390582 0.81 ALOX15 (0.44) ALOX15TP53LMNACYP3A4HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0374513-B1 Novel bis-arylphosphate ester antagonists of platelet activating factor AMERICAN CYANAMID CO (US) 1996-01-10 EP disclosed
US-5328901-A Respiratory system disorders AMERICAN CYANAMID COMPANY (US) 1994-07-12 US disclosed
US-5231091-A Antihistamines, anaphylactic, respiratory system disorders, cardiovascular disorders ans septic shock AMERICAN CYANAMID COMPANY (US) 1993-07-27 US disclosed
US-5147864-A Bronchodilator agent, antianaphylactic agent, antishock agent, cardiotonic agent and anticarcinogenic agent AMERICAN CYANAMID COMPANY (US) 1992-09-15 US disclosed
US-4983592-A Bis-arylphosphate ester antagonists of platelet activating factor AMERICAN CYANAMID CO. (US) 1991-01-08 US disclosed
EP-0374513-A2 Novel bis-arylphosphate ester antagonists of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1990-06-27 EP disclosed